Molecule card · MolClass #40399
24829092
24829092: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24829092Mitochondrial Fusion · compound_name
- MolClass ID
- 40399
- InChIKey
- YCOPFXDJNALDLX-GIJQJNRQSA-N
- Canonical SMILES
- Cc1ccc(cc1)SC=2N=C3C=CC(C)=CN3(C(=O)C=2(C=NO))
- Standard InChI
- InChI=1S/C17H15N3O2S/c1-11-3-6-13(7-4-11)23-16-14(9-18-22)17(21)20-10-12(2)5-8-15(20)19-16/h3-10,22H,1-2H3/b18-9+
- Stored Murcko scaffold
- N=1C(Sc2ccccc2)=C[CH]N3C=CC=CC13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.579
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24829092